sec-Butyl maleate
TL;DR: sec-Butyl maleate (CAS 924-63-0) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-butan-2-yloxy-4-oxobut-2-enoic acid
Also Known As: sec-Butyl maleate, Mono-sec-butyl maleate, Maleic acid, sec-butyl ester, starbld0001957, Maleic acid, mono-sec-butyl ester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.9689 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 195.23454 |
Chemical Identifiers
| CAS Number | 924-63-0 |
|---|---|
| SMILES | CCC(C)OC(=O)/C=C\C(=O)O |
Product Overview
sec-Butyl maleate (CAS 924-63-0), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: (Z)-4-butan-2-yloxy-4-oxobut-2-enoic acid.
Chemical Property Profile of sec-Butyl maleate
Property Insights of sec-Butyl maleate
The XLogP value of 0.9689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butyl maleate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for sec-Butyl maleate. Following Lipinski's Rule of Five, sec-Butyl maleate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sec-Butyl maleate?
The CAS number of sec-Butyl maleate is 924-63-0.
What is the molecular formula of sec-Butyl maleate?
The molecular formula of sec-Butyl maleate is C8H12O4.
What is the molecular weight of sec-Butyl maleate?
The molecular weight of sec-Butyl maleate is 172.07 g/mol.
Where can I buy sec-Butyl maleate?
You can request a quote for sec-Butyl maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl maleate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.